1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one

C10H15NO3S3 — CID 103526645

IUPAC1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one
SMILESCCC(=O)c1sc(SC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C10H15NO3S3/c1-4-6(12)8-7(11)9(10(15-3)16-8)17(13,14)5-2/h4-5,11H2,1-3H3
InChIKeyBGNPGAKDRLAJTL-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.44
Rot. Bonds5

About 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one

1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one (PubChem CID 103526645) has the molecular formula C10H15NO3S3 and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one
PubChem CID103526645
Molecular FormulaC10H15NO3S3
Molecular Weight293.44 g/mol
Exact Mass293.02
IUPAC Name1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one
SMILESCCC(=O)c1sc(SC)c(S(=O)(=O)CC)c1N
InChIInChI=1S/C10H15NO3S3/c1-4-6(12)8-7(11)9(10(15-3)16-8)17(13,14)5-2/h4-5,11H2,1-3H3
InChIKeyBGNPGAKDRLAJTL-UHFFFAOYSA-N
XLogP2.44
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one?
The IUPAC name of 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one (CID 103526645) is 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one?
The canonical SMILES for 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one is CCC(=O)c1sc(SC)c(S(=O)(=O)CC)c1N.
What is the InChIKey of 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one?
The InChIKey is BGNPGAKDRLAJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S3/c1-4-6(12)8-7(11)9(10(15-3)16-8)17(13,14)5-2/h4-5,11H2,1-3H3.
What are the key properties of 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one?
1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one has a molecular weight of 293.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-ethylsulfonyl-5-methylsulfanylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 103526645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).